CID 118803984

2,3-dichloropyridine-4-thiol

Structural Information

Molecular Formula

C₅H₃Cl₂NS

SMILES

C1=CNC(=C(C1=S)Cl)Cl

InChI

InChI=1S/C5H3Cl2NS/c6-4-3(9)1-2-8-5(4)7/h1-2H,(H,8,9)

InChIKey

WYVPVNXMXYQNSP-UHFFFAOYSA-N

Compound name

2,3-dichloro-1H-pyridine-4-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 178.93633 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.94361	125.8
[M+Na]+	201.92555	137.6
[M-H]-	177.92905	127.3
[M+NH4]+	196.97015	146.2
[M+K]+	217.89949	131.2
[M+H-H2O]+	161.93359	122.6
[M+HCOO]-	223.93453	134.0
[M+CH3COO]-	237.95018	139.5
[M+Na-2H]-	199.91100	129.6
[M]+	178.93578	127.5
[M]-	178.93688	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe